| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2010 | 23 | No |
Popular Name: 8-chloro-1-(chloromethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine 8-chloro-1-(chloromethyl)-6-phen…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.88 | 9.47 | -9.69 | 0 | 4 | 0 | 43 | 343.217 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.88 | 10.3 | -35.01 | 1 | 4 | 1 | 45 | 344.225 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4009175; US4010177; US4021441; US4039551; US4081452; US4141902; US4226772; US4250094; US4663454 | IBM Patent Data |
